2-(2-chlorophenyl)ethyl imidazole-1-carboxylate

C12H11ClN2O2 — CID 143792756

IUPAC2-(2-chlorophenyl)ethyl imidazole-1-carboxylate
SMILESO=C(OCCc1ccccc1Cl)n1ccnc1
InChIInChI=1S/C12H11ClN2O2/c13-11-4-2-1-3-10(11)5-8-17-12(16)15-7-6-14-9-15/h1-4,6-7,9H,5,8H2
InChIKeyWNISLIMFTPCDGP-UHFFFAOYSA-N
MW250.69 g/mol
LogP2.76
Rot. Bonds3

About 2-(2-chlorophenyl)ethyl imidazole-1-carboxylate

2-(2-chlorophenyl)ethyl imidazole-1-carboxylate (PubChem CID 143792756) has the molecular formula C12H11ClN2O2 and a molecular weight of 250.69 g/mol. Its IUPAC name is 2-(2-chlorophenyl)ethyl imidazole-1-carboxylate.

Molecular Properties

Compound Name2-(2-chlorophenyl)ethyl imidazole-1-carboxylate
PubChem CID143792756
Molecular FormulaC12H11ClN2O2
Molecular Weight250.69 g/mol
Exact Mass250.05
IUPAC Name2-(2-chlorophenyl)ethyl imidazole-1-carboxylate
SMILESO=C(OCCc1ccccc1Cl)n1ccnc1
InChIInChI=1S/C12H11ClN2O2/c13-11-4-2-1-3-10(11)5-8-17-12(16)15-7-6-14-9-15/h1-4,6-7,9H,5,8H2
InChIKeyWNISLIMFTPCDGP-UHFFFAOYSA-N
XLogP2.76
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.69
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenylethyl imidazole-1-carboxylate
CID 15371420
2-methoxyethyl imidazole-1-carboxylate
CID 10583275
(2-methoxyphenyl)methyl imidazole-1-carboxylate
CID 170657703
propyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
CID 155660588
2-(1-hydroxy-2-methylpropan-2-yl)oxyethyl imidazole-1-carboxylate
CID 89467135
butyl imidazole-1-carboxylate
CID 12840941
2-(2-chlorophenyl)ethyl prop-2-enoate
CID 18316827
methyl 2-[(2-chlorophenyl)methyl-(imidazole-1-carbonyl)amino]-2-methylpropanoate
CID 155660592
4,4,4-trifluorobutyl imidazole-1-carboxylate
CID 71419641
2-(2-chlorophenyl)ethyl carbamate;methoxymethanol
CID 144705844
2-(1,2,2-trimethylcyclopropanecarbonyl)oxyethyl imidazole-1-carboxylate
CID 146209608
N-[(2,3-dichlorophenyl)methyl]-N-methylimidazole-1-carboxamide
CID 112722736

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)ethyl imidazole-1-carboxylate?
The IUPAC name of 2-(2-chlorophenyl)ethyl imidazole-1-carboxylate (CID 143792756) is 2-(2-chlorophenyl)ethyl imidazole-1-carboxylate.
What is the SMILES notation for 2-(2-chlorophenyl)ethyl imidazole-1-carboxylate?
The canonical SMILES for 2-(2-chlorophenyl)ethyl imidazole-1-carboxylate is O=C(OCCc1ccccc1Cl)n1ccnc1.
What is the InChIKey of 2-(2-chlorophenyl)ethyl imidazole-1-carboxylate?
The InChIKey is WNISLIMFTPCDGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O2/c13-11-4-2-1-3-10(11)5-8-17-12(16)15-7-6-14-9-15/h1-4,6-7,9H,5,8H2.
What are the key properties of 2-(2-chlorophenyl)ethyl imidazole-1-carboxylate?
2-(2-chlorophenyl)ethyl imidazole-1-carboxylate has a molecular weight of 250.69 g/mol, XLogP of 2.76, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)ethyl imidazole-1-carboxylate is sourced from PubChem (CID 143792756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).